2-(2-hydroxyethylsulfanyl)ethyl 2-[2-[2-[2-[[2-[2-[2-[2-(2-hydroxyethylsulfanyl)ethylperoxy]ethylsulfanyl]ethylsulfanyl]acetyl]sulfanylmethylsulfanyl]ethylsulfanylmethylsulfinyl]ethylsulfanyl]ethylsulfanyl]acetate

C24H46O8S10 — CID 58670552

IUPAC2-(2-hydroxyethylsulfanyl)ethyl 2-[2-[2-[2-[[2-[2-[2-[2-(2-hydroxyethylsulfanyl)ethylperoxy]ethylsulfanyl]ethylsulfanyl]acetyl]sulfanylmethylsulfanyl]ethylsulfanylmethylsulfinyl]ethylsulfanyl]ethylsulfanyl]acetate
SMILESO=C(CSCCSCCS(=O)CSCCSCSC(=O)CSCCSCCOOCCSCCO)OCCSCCO
InChIInChI=1S/C24H46O8S10/c25-1-6-33-8-3-30-23(27)19-37-13-12-36-17-18-42(29)22-40-16-15-39-21-41-24(28)20-38-14-11-35-10-5-32-31-4-9-34-7-2-26/h25-26H,1-22H2
InChIKeyUUCPVTGOSSLNGZ-UHFFFAOYSA-N
MW783.29 g/mol
LogP4.25
Rot. Bonds34

About 2-(2-hydroxyethylsulfanyl)ethyl 2-[2-[2-[2-[[2-[2-[2-[2-(2-hydroxyethylsulfanyl)ethylperoxy]ethylsulfanyl]ethylsulfanyl]acetyl]sulfanylmethylsulfanyl]ethylsulfanylmethylsulfinyl]ethylsulfanyl]ethylsulfanyl]acetate

2-(2-hydroxyethylsulfanyl)ethyl 2-[2-[2-[2-[[2-[2-[2-[2-(2-hydroxyethylsulfanyl)ethylperoxy]ethylsulfanyl]ethylsulfanyl]acetyl]sulfanylmethylsulfanyl]ethylsulfanylmethylsulfinyl]ethylsulfanyl]ethylsulfanyl]acetate (PubChem CID 58670552) has the molecular formula C24H46O8S10 and a molecular weight of 783.29 g/mol. Its IUPAC name is 2-(2-hydroxyethylsulfanyl)ethyl 2-[2-[2-[2-[[2-[2-[2-[2-(2-hydroxyethylsulfanyl)ethylperoxy]ethylsulfanyl]ethylsulfanyl]acetyl]sulfanylmethylsulfanyl]ethylsulfanylmethylsulfinyl]ethylsulfanyl]ethylsulfanyl]acetate.

Molecular Properties

Compound Name2-(2-hydroxyethylsulfanyl)ethyl 2-[2-[2-[2-[[2-[2-[2-[2-(2-hydroxyethylsulfanyl)ethylperoxy]ethylsulfanyl]ethylsulfanyl]acetyl]sulfanylmethylsulfanyl]ethylsulfanylmethylsulfinyl]ethylsulfanyl]ethylsulfanyl]acetate
PubChem CID58670552
Molecular FormulaC24H46O8S10
Molecular Weight783.29 g/mol
Exact Mass782.04
IUPAC Name2-(2-hydroxyethylsulfanyl)ethyl 2-[2-[2-[2-[[2-[2-[2-[2-(2-hydroxyethylsulfanyl)ethylperoxy]ethylsulfanyl]ethylsulfanyl]acetyl]sulfanylmethylsulfanyl]ethylsulfanylmethylsulfinyl]ethylsulfanyl]ethylsulfanyl]acetate
SMILESO=C(CSCCSCCS(=O)CSCCSCSC(=O)CSCCSCCOOCCSCCO)OCCSCCO
InChIInChI=1S/C24H46O8S10/c25-1-6-33-8-3-30-23(27)19-37-13-12-36-17-18-42(29)22-40-16-15-39-21-41-24(28)20-38-14-11-35-10-5-32-31-4-9-34-7-2-26/h25-26H,1-22H2
InChIKeyUUCPVTGOSSLNGZ-UHFFFAOYSA-N
XLogP4.25
TPSA119.36 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds34
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.29
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 2-(2-hydroxyethylsulfanyl)ethyl 2-[2-[2-[2-[[2-[2-[2-[2-(2-hydroxyethylsulfanyl)ethylperoxy]ethylsulfanyl]ethylsulfanyl]acetyl]sulfanylmethylsulfanyl]ethylsulfanylmethylsulfinyl]ethylsulfanyl]ethylsulfanyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylsulfanyl)ethyl 2-[2-[2-[2-[[2-[2-[2-[2-(2-hydroxyethylsulfanyl)ethylperoxy]ethylsulfanyl]ethylsulfanyl]acetyl]sulfanylmethylsulfanyl]ethylsulfanylmethylsulfinyl]ethylsulfanyl]ethylsulfanyl]acetate?
The IUPAC name of 2-(2-hydroxyethylsulfanyl)ethyl 2-[2-[2-[2-[[2-[2-[2-[2-(2-hydroxyethylsulfanyl)ethylperoxy]ethylsulfanyl]ethylsulfanyl]acetyl]sulfanylmethylsulfanyl]ethylsulfanylmethylsulfinyl]ethylsulfanyl]ethylsulfanyl]acetate (CID 58670552) is 2-(2-hydroxyethylsulfanyl)ethyl 2-[2-[2-[2-[[2-[2-[2-[2-(2-hydroxyethylsulfanyl)ethylperoxy]ethylsulfanyl]ethylsulfanyl]acetyl]sulfanylmethylsulfanyl]ethylsulfanylmethylsulfinyl]ethylsulfanyl]ethylsulfanyl]acetate.
What is the SMILES notation for 2-(2-hydroxyethylsulfanyl)ethyl 2-[2-[2-[2-[[2-[2-[2-[2-(2-hydroxyethylsulfanyl)ethylperoxy]ethylsulfanyl]ethylsulfanyl]acetyl]sulfanylmethylsulfanyl]ethylsulfanylmethylsulfinyl]ethylsulfanyl]ethylsulfanyl]acetate?
The canonical SMILES for 2-(2-hydroxyethylsulfanyl)ethyl 2-[2-[2-[2-[[2-[2-[2-[2-(2-hydroxyethylsulfanyl)ethylperoxy]ethylsulfanyl]ethylsulfanyl]acetyl]sulfanylmethylsulfanyl]ethylsulfanylmethylsulfinyl]ethylsulfanyl]ethylsulfanyl]acetate is O=C(CSCCSCCS(=O)CSCCSCSC(=O)CSCCSCCOOCCSCCO)OCCSCCO.
What is the InChIKey of 2-(2-hydroxyethylsulfanyl)ethyl 2-[2-[2-[2-[[2-[2-[2-[2-(2-hydroxyethylsulfanyl)ethylperoxy]ethylsulfanyl]ethylsulfanyl]acetyl]sulfanylmethylsulfanyl]ethylsulfanylmethylsulfinyl]ethylsulfanyl]ethylsulfanyl]acetate?
The InChIKey is UUCPVTGOSSLNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O8S10/c25-1-6-33-8-3-30-23(27)19-37-13-12-36-17-18-42(29)22-40-16-15-39-21-41-24(28)20-38-14-11-35-10-5-32-31-4-9-34-7-2-26/h25-26H,1-22H2.
What are the key properties of 2-(2-hydroxyethylsulfanyl)ethyl 2-[2-[2-[2-[[2-[2-[2-[2-(2-hydroxyethylsulfanyl)ethylperoxy]ethylsulfanyl]ethylsulfanyl]acetyl]sulfanylmethylsulfanyl]ethylsulfanylmethylsulfinyl]ethylsulfanyl]ethylsulfanyl]acetate?
2-(2-hydroxyethylsulfanyl)ethyl 2-[2-[2-[2-[[2-[2-[2-[2-(2-hydroxyethylsulfanyl)ethylperoxy]ethylsulfanyl]ethylsulfanyl]acetyl]sulfanylmethylsulfanyl]ethylsulfanylmethylsulfinyl]ethylsulfanyl]ethylsulfanyl]acetate has a molecular weight of 783.29 g/mol, XLogP of 4.25, 34 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylsulfanyl)ethyl 2-[2-[2-[2-[[2-[2-[2-[2-(2-hydroxyethylsulfanyl)ethylperoxy]ethylsulfanyl]ethylsulfanyl]acetyl]sulfanylmethylsulfanyl]ethylsulfanylmethylsulfinyl]ethylsulfanyl]ethylsulfanyl]acetate is sourced from PubChem (CID 58670552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).